6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H13N5 — CID 110430201

IUPAC6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3cccnc3)ncnc2[nH]1
InChIInChI=1S/C13H13N5/c1-9-5-11-12(16-8-17-13(11)18-9)15-7-10-3-2-4-14-6-10/h2-6,8H,7H2,1H3,(H2,15,16,17,18)
InChIKeyILVGKAPQWKAUDL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.27
Rot. Bonds3

About 6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430201) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430201
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3cccnc3)ncnc2[nH]1
InChIInChI=1S/C13H13N5/c1-9-5-11-12(16-8-17-13(11)18-9)15-7-10-3-2-4-14-6-10/h2-6,8H,7H2,1H3,(H2,15,16,17,18)
InChIKeyILVGKAPQWKAUDL-UHFFFAOYSA-N
XLogP2.27
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430201) is 6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCc3cccnc3)ncnc2[nH]1.
What is the InChIKey of 6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ILVGKAPQWKAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-5-11-12(16-8-17-13(11)18-9)15-7-10-3-2-4-14-6-10/h2-6,8H,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).